2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide

C20H26N2O3S — CID 46550031

IUPAC2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NC3CCCC(C)C3C)cs2)c1OC
InChIInChI=1S/C20H26N2O3S/c1-12-7-5-9-15(13(12)2)21-19(23)16-11-26-20(22-16)14-8-6-10-17(24-3)18(14)25-4/h6,8,10-13,15H,5,7,9H2,1-4H3,(H,21,23)
InChIKeyKDOUCGPTTNCHCA-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.38
Rot. Bonds5

About 2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide

2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 46550031) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID46550031
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NC3CCCC(C)C3C)cs2)c1OC
InChIInChI=1S/C20H26N2O3S/c1-12-7-5-9-15(13(12)2)21-19(23)16-11-26-20(22-16)14-8-6-10-17(24-3)18(14)25-4/h6,8,10-13,15H,5,7,9H2,1-4H3,(H,21,23)
InChIKeyKDOUCGPTTNCHCA-UHFFFAOYSA-N
XLogP4.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 112796571
2-(2,3-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 42945606
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 11936923
3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 51723970
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 11925615
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24671896
N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94828868

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 46550031) is 2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide is COc1cccc(-c2nc(C(=O)NC3CCCC(C)C3C)cs2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KDOUCGPTTNCHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-12-7-5-9-15(13(12)2)21-19(23)16-11-26-20(22-16)14-8-6-10-17(24-3)18(14)25-4/h6,8,10-13,15H,5,7,9H2,1-4H3,(H,21,23).
What are the key properties of 2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46550031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).